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Home > Pyridines > 179626-26-7
179626-26-7 | Benzoic acid, 4-(2-oxo-1(2H)-pyridinyl)-, ethyl ester
CAS No: 179626-26-7 Catalog No: AG00274V MDL No:
Product Description
Catalog Number:
AG00274V
Chemical Name:
Benzoic acid, 4-(2-oxo-1(2H)-pyridinyl)-, ethyl ester
CAS Number:
179626-26-7
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
ethyl 4-(2-oxopyridin-1-yl)benzoate
InChI:
InChI=1S/C14H13NO3/c1-2-18-14(17)11-6-8-12(9-7-11)15-10-4-3-5-13(15)16/h3-10H,2H2,1H3
InChI Key:
CKDQOLXPJHYYJB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)n1ccccc1=O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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